2-fluoranyl-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-fluoranyl-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-fluoro-benzoic acid CAS Name: 2-fluoro-5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 5-(2-benzyl-4-nitrophenoxy)sulfonyl-2-fluorobenzoic acid Traditional Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-fluoro-benzoic acid Formula: C20H14FNO7S MolecularWeight: 431.391063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H14FNO7S/c21-18-8-7-16(12-17(18)20(23)24)30(27,28)29-19-9-6-15(22(25)26)11-14(19)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24)